4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid

Modify Date: 2024-07-18 16:26:54

4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid Structure
4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid structure
Common Name 4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutane-1,1-bisphosphonic acid
CAS Number 104233-81-0 Molecular Weight 450.18800
Density 1.58g/cm3 Boiling Point 762.1ºC at 760mmHg
Molecular Formula C14H23Cl2NO7P2 Melting Point N/A
MSDS N/A Flash Point 414.7ºC

 Names

Name [4-[4-[bis(2-chloroethyl)amino]phenyl]-1-hydroxy-1-phosphonobutyl]phosphonic acid

 Chemical & Physical Properties

Density 1.58g/cm3
Boiling Point 762.1ºC at 760mmHg
Molecular Formula C14H23Cl2NO7P2
Molecular Weight 450.18800
Flash Point 414.7ºC
Exact Mass 449.03300
PSA 158.15000
LogP 2.29480
Vapour Pressure 2.05E-24mmHg at 25°C
Index of Refraction 1.617

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SZ6800000
CHEMICAL NAME :
Phosphonic acid, (4-(4-(bis(2-chloroethyl)amino)phenyl)-1-hydroxybutyl idene)bis-
CAS REGISTRY NUMBER :
104233-81-0
LAST UPDATED :
199410
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H23-Cl2-N-O7-P2
MOLECULAR WEIGHT :
450.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
146 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
5 mg/plate
REFERENCE :
JCROD7 Journal of Cancer Research and Clinical Oncology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.93- 1979- Volume(issue)/page/year: 111,209,1986
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